5-phenyl-2-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole

Systemtic Name: 5-phenyl-2-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 5-phenyl-2-[(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)methyl]oxazole CAS Name: 5-phenyl-2-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazin-1-iumyl]methyl]oxazole IUPAC Name: 5-phenyl-2-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 5-phenyl-2-[(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)methyl]oxazole Formula: C24H28N3O3S+ MolecularWeight: 438.56242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=NC=C(O4)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=NC=C(O4)C5=CC=CC=C5

InChI

InChI=1S/C24H27N3O3S/c28-31(29,22-11-10-19-6-4-5-9-21(19)16-22)27-14-12-26(13-15-27)18-24-25-17-23(30-24)20-7-2-1-3-8-20/h1-3,7-8,10-11,16-17H,4-6,9,12-15,18H2/p+1